(4S)-4-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-keto-butanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C73H100N14O17 MolecularWeight: 1445.6587

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=CC=C1)CNC(CC2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)CN[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C

InChI

InChI=1S/C73H100N14O17/c1-7-43(4)62(86-70(101)58-29-20-32-87(58)73(104)56(37-49-27-18-11-19-28-49)84-69(100)55(38-59(74)91)82-68(99)54(33-42(2)3)83-72(103)63(44(5)89)78-45(6)90)71(102)85-57(41-88)65(96)77-40-60(92)79-50(34-46-21-12-8-13-22-46)39-76-53(36-48-25-16-10-17-26-48)67(98)80-51(30-31-61(93)94)66(97)81-52(64(75)95)35-47-23-14-9-15-24-47/h8-19,21-28,42-44,50-58,62-63,76,88-89H,7,20,29-41H2,1-6H3,(H2,74,91)(H2,75,95)(H,77,96)(H,78,90)(H,79,92)(H,80,98)(H,81,97)(H,82,99)(H,83,103)(H,84,100)(H,85,102)(H,86,101)(H,93,94)/t43-,44+,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-,63-/m0/s1