(4S)-4-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[9,10-bis(oxidanylidene)phenanthren-3-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[[9,10-bis(oxidanylidene)phenanthren-3-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-(carboxymethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[(9,10-dioxophenanthrene-3-carbonyl)amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(carboxymethylamino)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(9,10-dioxo-3-phenanthrenyl)-oxomethyl]amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[(9,10-dioxophenanthrene-3-carbonyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[(9,10-diketophenanthrene-3-carbonyl)amino]-5-keto-pentanoyl]amino]-5-keto-pentanoyl]prolyl]amino]-5-(carboxymethylamino)-5-keto-valeric acid Formula: C37H41N7O13 MolecularWeight: 791.76054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C2=CC3=C(C=C2)C(=O)C(=O)C4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC3=C(C=C2)C(=O)C(=O)C4=CC=CC=C43)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C37H41N7O13/c38-27(45)12-9-24(41-33(53)18-7-8-21-22(16-18)19-4-1-2-5-20(19)31(51)32(21)52)35(55)43-25(10-13-28(39)46)37(57)44-15-3-6-26(44)36(56)42-23(11-14-29(47)48)34(54)40-17-30(49)50/h1-2,4-5,7-8,16,23-26H,3,6,9-15,17H2,(H2,38,45)(H2,39,46)(H,40,54)(H,41,53)(H,42,56)(H,43,55)(H,47,48)(H,49,50)/t23-,24-,25-,26-/m0/s1