(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Methylpentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid
[CAS# 75491-15-5]

Identification

• Name: (2S)-6-Amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Methylpentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid
• Synonyms: (2S)-6-Amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Ethanoylamino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Pyrrolidin-2-Yl]Carbonylamino]Hexanoic Acid
• Molecular Formula: C₆₄H₁₀₅N₂₁O₁₃
• Molecular Weight: 1376.67
• CAS Registry Number: 75491-15-5
• 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)CNC(=O)[C@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C)CC3=CC=CC=C3)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)[C@H](CC)C)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O
• InChI: 1S/C64H105N21O13/c1-6-37(4)51(59(95)81-45(21-14-30-75-64(71)72)60(96)85-31-15-22-49(85)58(94)82-46(61(97)98)18-10-11-27-65)84-55(91)44(20-13-29-74-63(69)70)79-54(90)43(19-12-28-73-62(67)68)80-56(92)47(32-36(2)3)83-57(93)48(34-39-16-8-7-9-17-39)78-50(87)35-76-52(88)38(5)77-53(89)42(66)33-40-23-25-41(86)26-24-40/h7-9,16-17,23-26,36-38,42-49,51,86H,6,10-15,18-22,27-35,65-66H2,1-5H3,(H,76,88)(H,77,89)(H,78,87)(H,79,90)(H,80,92)(H,81,95)(H,82,94)(H,83,93)(H,84,91)(H,97,98)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
• InChIKey: VTPKWYYFTHZENR-DFQGMJKVSA-N

Properties

• Density: 1.415g/cm³ (Cal.)