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Home >> Chemical Listing >> Page 164 >> (2S)-N-[(2S)-4-Amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-Amino-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Sulfanylidenepropan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Pentanediamide

(2S)-N-[(2S)-4-Amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-Amino-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Sulfanylidenepropan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Pentanediamide
[CAS# 114872-15-0]

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CAS#: 114872-15-0
Product: (2S)-N-[(2S)-4-Amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-Amino-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Sulfanylidenepropan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Pentanediamide
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Identification
Name (2S)-N-[(2S)-4-Amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-Amino-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Sulfanylidenepropan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Pentanediamide
Synonyms (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(1S)-1-[[(1S)-2-Amino-1-[(4-Methoxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-1-Methanethioyl-2-Oxo-Ethyl]Carbamoyl]-3-Oxo-Propyl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[[(1R)-2-[(2S)-2-[[[(1S)-1-[[[(1S)-2-Amino-1-[(4-Methoxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-Methanethioyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Oxopropyl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Mercaptocyclohexyl)-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(1S)-1-[[(1S)-2-Amino-2-Keto-1-(4-Methoxybenzyl)Ethyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-Thioformyl-Ethyl]Carbamoyl]-3-Keto-Propyl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Mercaptocyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Glutaramide
Molecular Structure CAS#: 114872-15-0, (2S)-N-[(2S)-4-Amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-Amino-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Sulfanylidenepropan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Pentanediamide
Molecular Formula C59H80N14O13S2
Molecular Weight 1257.49
CAS Registry Number 114872-15-0
SMILES [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC2(S)CCCCC2)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)CCC(=O)N)CC(=O)N)C=S)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC5=CC=C(OC)C=C5)C(=O)N
InChI 1S/C59H80N14O13S2/c1-86-38-20-16-36(17-21-38)28-41(50(62)78)69-51(79)39(12-8-26-65-58(63)64)68-56(84)46-13-9-27-73(46)57(85)45(33-87)72-55(83)44(31-48(61)76)71-52(80)40(22-23-47(60)75)67-54(82)43(29-34-10-4-2-5-11-34)70-53(81)42(30-35-14-18-37(74)19-15-35)66-49(77)32-59(88)24-6-3-7-25-59/h2,4-5,10-11,14-21,33,39-46,74,88H,3,6-9,12-13,22-32H2,1H3,(H2,60,75)(H2,61,76)(H2,62,78)(H,66,77)(H,67,82)(H,68,84)(H,69,79)(H,70,81)(H,71,80)(H,72,83)(H4,63,64,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
InChIKey JCTXIQOEEDLTJO-QVWIHFFISA-N
Properties
Density 1.458g/cm3 (Cal.)
Market Analysis Reports
List of Reports Available for (2S)-N-[(2S)-4-Amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-Amino-3-(4-Methoxyphenyl)-1-Oxopropan-2-Yl]Amino]-5-(Diaminomethylideneamino)-1-Oxopentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Sulfanylidenepropan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]-2-[[(2S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Pentanediamide
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