N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-[(2S)-2-(Ethylcarbamoyl)Pyrrolidin-1-Yl]-1-Oxopentan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]-Methylamino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-3-Hydroxy-1-Oxopropan-2-Yl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-5-Oxopyrrolidine-2-Carboxamide
[CAS# 76500-08-8]

Identification

• Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-[(2S)-2-(Ethylcarbamoyl)Pyrrolidin-1-Yl]-1-Oxopentan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]-Methylamino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Amino]-3-Hydroxy-1-Oxopropan-2-Yl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-5-Oxopyrrolidine-2-Carboxamide
• Synonyms: N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(Ethylcarbamoyl)Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-2-Methyl-Butyl]-Methyl-Carbamoyl]-3-Methyl-Butyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-5-Oxo-Pyrrolidine-2-Carboxamide; N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[[(1S,2S)-1-[[[(1S)-1-[[(2S)-2-(Ethylcarbamoyl)-1-Pyrrolidinyl]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-2-Methylbutyl]-Methylamino]-Oxomethyl]-3-Methylbutyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-5-Oxo-2-Pyrrolidinecarboxamide; N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-(Ethylcarbamoyl)Pyrrolidine-1-Carbonyl]-4-Guanidino-Butyl]Carbamoyl]-2-Methyl-Butyl]-Methyl-Carbamoyl]-3-Methyl-Butyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-5-Keto-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₆₀H₈₆N₁₆O₁₂
• Molecular Weight: 1223.44
• CAS Registry Number: 76500-08-8
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2NC(=O)CC2)CC3=CN=C[NH]3)CC4=C[NH]C5=CC=CC=C45)CO)CC6=CC=C(O)C=C6)CC(C)C)C)[C@H](CC)C)CCCN=C(N)N)C(=O)NCC
• InChI: 1S/C60H86N16O12/c1-7-34(5)50(57(86)69-42(15-11-23-65-60(61)62)59(88)76-24-12-16-48(76)56(85)64-8-2)75(6)58(87)46(25-33(3)4)73-52(81)43(26-35-17-19-38(78)20-18-35)70-55(84)47(31-77)74-53(82)44(27-36-29-66-40-14-10-9-13-39(36)40)71-54(83)45(28-37-30-63-32-67-37)72-51(80)41-21-22-49(79)68-41/h9-10,13-14,17-20,29-30,32-34,41-48,50,66,77-78H,7-8,11-12,15-16,21-28,31H2,1-6H3,(H,63,67)(H,64,85)(H,68,79)(H,69,86)(H,70,84)(H,71,83)(H,72,80)(H,73,81)(H,74,82)(H4,61,62,65)/t34-,41?,42-,43-,44-,45-,46+,47-,48-,50-/m0/s1
• InChIKey: SKIQQIBAGXKQMN-UPCHOWBUSA-N

Properties

• Density: 1.43g/cm³ (Cal.)