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

Systemtic Name: (2S,3S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-1,5-dioxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-keto-2-[[(2S)-prolyl]amino]pentanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]-3-methyl-valeric acid Formula: C46H70N9O18P MolecularWeight: 1068.071261

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3

InChI

InChI=1S/C46H70N9O18P/c1-5-24(3)37(45(67)55-22-8-10-33(55)44(66)54-38(46(68)69)25(4)6-2)53-42(64)31(17-20-36(59)60)50-40(62)30(16-19-35(57)58)51-43(65)32(23-26-11-13-27(14-12-26)73-74(70,71)72)52-41(63)29(15-18-34(47)56)49-39(61)28-9-7-21-48-28/h11-14,24-25,28-33,37-38,48H,5-10,15-23H2,1-4H3,(H2,47,56)(H,49,61)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,54,66)(H,57,58)(H,59,60)(H,68,69)(H2,70,71,72)/t24-,25-,28-,29-,30-,31-,32-,33-,37-,38-/m0/s1