(2S)-N-[(2S)-1-[[(2S)-1-[[(Z,2S)-5-Amino-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-Amino-1-Oxopentan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1-Oxopent-3-En-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]-2-[[(2S)-2,4-Diamino-4-Oxobutanoyl]Amino]Pentanediamide Dihydrochloride
[CAS# 79774-99-5]

Identification

• Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(Z,2S)-5-Amino-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-Amino-1-Oxopentan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1-Oxopent-3-En-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]-2-[[(2S)-2,4-Diamino-4-Oxobutanoyl]Amino]Pentanediamide Dihydrochloride
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-1-[[(Z,1S)-4-Amino-1-[[(1S)-1-[[(1R)-2-[(2S)-2-[[(1S)-2-[[(1S)-4-Amino-1-Formyl-Butyl]Amino]-1-Benzyl-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-Benzyl-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]But-2-Enyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]Pentanediamide Dihydrochloride; (2S)-N-[(1S)-2-[[(1S)-1-[[[(Z,1S)-4-Amino-1-[[[(1S)-1-[[[(1R)-2-[(2S)-2-[[[(1S)-2-[[(1S)-4-Amino-1-Formylbutyl]Amino]-1-Benzyl-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-Benzyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]But-2-Enyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]Amino]Pentanediamide Dihydrochloride; (2S)-2-Amino-N-[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-1-[[(Z,1S)-4-Amino-1-[[(1S)-1-[[(1R)-2-[(2S)-2-[[(1S)-2-[[(1S)-4-Amino-1-Formyl-Butyl]Amino]-1-Benzyl-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-Benzyl-2-Keto-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]But-2-Enyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-4-Keto-Butyl]Succinamide Dihydrochloride
• Molecular Formula: C₆₂H₉₀Cl₂N₁₄O₁₃
• Molecular Weight: 1310.39
• CAS Registry Number: 79774-99-5
• 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)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CCC(=O)N)CC2=CC=C(O)C=C2)C(C)C)\C=C/CN)CC(C)C)CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCN)C=O.[H+].[H+].[Cl-].[Cl-]
• InChI: 1S/C62H88N14O13.2ClH/c1-36(2)30-46(58(85)74-49(33-39-16-9-6-10-17-39)62(89)76-29-13-20-50(76)60(87)73-47(31-38-14-7-5-8-15-38)57(84)68-41(35-77)18-11-27-63)71-55(82)44(19-12-28-64)70-61(88)53(37(3)4)75-59(86)48(32-40-21-23-42(78)24-22-40)72-56(83)45(25-26-51(66)79)69-54(81)43(65)34-52(67)80;;/h5-10,12,14-17,19,21-24,35-37,41,43-50,53,78H,11,13,18,20,25-34,63-65H2,1-4H3,(H2,66,79)(H2,67,80)(H,68,84)(H,69,81)(H,70,88)(H,71,82)(H,72,83)(H,73,87)(H,74,85)(H,75,86);2*1H/b19-12-;;/t41-,43-,44-,45-,46-,47-,48-,49+,50-,53-;;/m0../s1
• InChIKey: BJGZPJZVPXZFGE-DHNREBSVSA-N

Properties

• Boiling point: 1618.5°C at 760 mmHg (Cal.)
• Flash point: 932.6°C (Cal.)