(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-5-oxidanyl-1,5-bis(oxidanylidene)-1-[[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]-3-(4-phosphonophenyl)propan-2-yl]amino]pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-5-oxidanyl-1,5-bis(oxidanylidene)-1-[[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]-3-(4-phosphonophenyl)propan-2-yl]amino]pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-4-hydroxy-1-[[(1S)-2-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]propyl]amino]-2-oxo-1-[(4-phosphonophenyl)methyl]ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-(4-phosphonophenyl)propan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-(4-phosphonophenyl)propan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-4-hydroxy-1-[[(1S)-2-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]propyl]amino]-2-keto-1-(4-phosphonobenzyl)ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-5-keto-valeric acid Formula: C34H49N8O19P MolecularWeight: 904.768821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)P(=O)(O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)P(=O)(O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N)O

InChI

InChI=1S/C34H49N8O19P/c1-14(34(57)58)37-33(56)27(15(2)43)42-32(55)20(11-16-3-5-17(6-4-16)62(59,60)61)40-29(52)19(8-10-25(47)48)38-30(53)21(12-23(36)44)41-31(54)22(13-26(49)50)39-28(51)18(35)7-9-24(45)46/h3-6,14-15,18-22,27,43H,7-13,35H2,1-2H3,(H2,36,44)(H,37,56)(H,38,53)(H,39,51)(H,40,52)(H,41,54)(H,42,55)(H,45,46)(H,47,48)(H,49,50)(H,57,58)(H2,59,60,61)/t14-,15+,18-,19-,20-,21-,22-,27-/m0/s1