(4S)-4-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-6-azanyl-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(2S)-6-azanyl-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-5-amino-1-formyl-pentyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-5-amino-1-formyl-pentyl]amino]-5-keto-valeric acid Formula: C36H52N10O9 MolecularWeight: 768.85968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C=O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C=O

InChI

InChI=1S/C36H52N10O9/c37-15-5-4-9-23(20-47)42-32(51)27(12-14-31(49)50)43-34(53)28(17-22-7-2-1-3-8-22)45-33(52)26(11-13-30(39)48)44-35(54)29-10-6-16-46(29)36(55)25(38)18-24-19-40-21-41-24/h1-3,7-8,19-21,23,25-29H,4-6,9-18,37-38H2,(H2,39,48)(H,40,41)(H,42,51)(H,43,53)(H,44,54)(H,45,52)(H,49,50)/t23-,25-,26-,27-,28-,29-/m0/s1