(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4R)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-6-methyl-3-oxidanyl-heptanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4R)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-6-methyl-3-oxidanyl-heptanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4R)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4R)-4-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4R)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4R)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C51H74N14O10 MolecularWeight: 1043.22106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(C(C)C)NC(=O)CC(C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)N)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C[C@@H]([C@@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)N)O

InChI

InChI=1S/C51H74N14O10/c1-7-30(6)44(49(72)62-39(51(74)75)20-34-24-55-27-58-34)64-48(71)43(29(4)5)63-42(67)21-41(66)36(16-28(2)3)59-46(69)38(19-33-23-54-26-57-33)60-45(68)37(17-31-12-9-8-10-13-31)61-47(70)40-14-11-15-65(40)50(73)35(52)18-32-22-53-25-56-32/h8-10,12-13,22-30,35-41,43-44,66H,7,11,14-21,52H2,1-6H3,(H,53,56)(H,54,57)(H,55,58)(H,59,69)(H,60,68)(H,61,70)(H,62,72)(H,63,67)(H,64,71)(H,74,75)/t30-,35-,36+,37-,38-,39-,40-,41-,43-,44-/m0/s1