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(4S)-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[(2S)-5-oxidanyl-1,5-bis(oxidanylidene)-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-sulfooxyphenyl)propan-2-yl]amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:	(4S)-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[(2S)-5-oxidanyl-1,5-bis(oxidanylidene)-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-sulfooxyphenyl)propan-2-yl]amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Openeye Name:	(4S)-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(1S)-4-hydroxy-1-[[(1S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-2-oxo-1-[(4-sulfooxyphenyl)methyl]ethyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-4-[[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-5-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]prolyl]amino]-5-[[(1S)-4-hydroxy-1-[[(1S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-(4-sulfoxybenzyl)ethyl]carbamoyl]-4-keto-butyl]amino]-5-keto-valeric acid
Formula:	C₅₆H₇₆N₁₀O₂₅S
MolecularWeight:	1321.31964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C56H76N10O25S/c1-4-28(2)46(65-51(81)37(19-23-44(73)74)60-48(78)34(16-20-41(67)68)61-53(83)39(25-30-9-6-5-7-10-30)63-47(77)33(57)27-45(75)76)55(85)66-24-8-11-40(66)54(84)62-36(18-22-43(71)72)49(79)59-35(17-21-42(69)70)50(80)64-38(52(82)58-29(3)56(86)87)26-31-12-14-32(15-13-31)91-92(88,89)90/h5-7,9-10,12-15,28-29,33-40,46H,4,8,11,16-27,57H2,1-3H3,(H,58,82)(H,59,79)(H,60,78)(H,61,83)(H,62,84)(H,63,77)(H,64,80)(H,65,81)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,86,87)(H,88,89,90)/t28-,29-,33-,34-,

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