(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-5-azanyl-1-[(2S)-2-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-4-[[(2S)-1-[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-5-azanyl-1-[(2S)-2-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-4-[[(2S)-1-[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-4-amino-1-[(2S)-2-[[(1S)-1-formyl-3-hydroxy-3-oxo-propyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-1-[(4-phosphonooxyphenyl)methyl]ethyl]amino]-4-[[(2S)-1-[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[(2S)-2-[[[(2S)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-4-[[[(2S)-1-[(2S)-5-amino-1,5-dioxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-4-hydroxy-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-4-[[(2S)-1-[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-4-amino-1-[(2S)-2-[[(1S)-1-formyl-3-hydroxy-3-keto-propyl]carbamoyl]pyrrolidine-1-carbonyl]-4-keto-butyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-(4-phosphonooxybenzyl)ethyl]amino]-4-[[(2S)-1-[(2S)-5-amino-5-keto-2-[[(2S)-prolyl]amino]pentanoyl]prolyl]amino]-5-keto-valeric acid Formula: C52H76N13O21P MolecularWeight: 1250.208101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C(CCC(=O)O)NC(=O)C3CCCN3C(=O)C(CCC(=O)N)NC(=O)C4CCCN4

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4

InChI

InChI=1S/C52H76N13O21P/c1-26(2)43(50(80)62-35(24-40(55)69)46(76)60-33(14-17-39(54)68)52(82)64-20-4-7-36(64)48(78)57-28(25-66)23-42(72)73)63-47(77)34(22-27-9-11-29(12-10-27)86-87(83,84)85)61-45(75)31(15-18-41(70)71)58-49(79)37-8-5-21-65(37)51(81)32(13-16-38(53)67)59-44(74)30-6-3-19-56-30/h9-12,25-26,28,30-37,43,56H,3-8,13-24H2,1-2H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,57,78)(H,58,79)(H,59,74)(H,60,76)(H,61,75)(H,62,80)(H,63,77)(H,70,71)(H,72,73)(H2,83,84,85)/t28-,30-,31-,32-,33-,34-,35-,36-,37-,43-/m0/s1