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(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]propanoyl]amino]pentanedioic acid

Systemtic Name:	(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-phenyl-propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]propanoyl]amino]pentanedioic acid
Openeye Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-5-hydroxy-2-[[(2S)-2-[(4-hydroxy-4-oxo-butanoyl)amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid
CAS Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-2-[[[(2S)-1-[(2S,3S)-2-[[[(2S)-1-[(2S)-5-hydroxy-2-[[(2S)-2-[(4-hydroxy-1,4-dioxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]pentanedioic acid
IUPAC Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-5-hydroxy-2-[[(2S)-2-[(4-hydroxy-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid
Traditional Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-5-hydroxy-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-5-hydroxy-2-[[(2S)-2-[(4-hydroxy-4-keto-butanoyl)amino]-3-phenyl-propanoyl]amino]-5-keto-pentanoyl]prolyl]amino]-3-methyl-pentanoyl]prolyl]amino]-5-keto-pentanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]glutaric acid
Formula:	C₆₁H₈₂N₁₀O₂₃
MolecularWeight:	1323.35698

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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(C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)CCC(=O)O

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](C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CCC(=O)O

InChI

InChI=1S/C61H82N10O23/c1-4-32(2)51(69-58(90)44-13-8-28-70(44)59(91)39(20-25-48(78)79)66-55(87)41(30-34-10-6-5-7-11-34)63-45(73)22-27-50(82)83)60(92)71-29-9-12-43(71)57(89)65-38(19-24-47(76)77)54(86)64-37(18-23-46(74)75)53(85)62-33(3)52(84)68-42(31-35-14-16-36(72)17-15-35)56(88)67-40(61(93)94)21-26-49(80)81/h5-7,10-11,14-17,32-33,37-44,51,72H,4,8-9,12-13,18-31H2,1-3H3,(H,62,85)(H,63,73)(H,64,86)(H,65,89)(H,66,87)(H,67,88)(H,68,84)(H,69,90)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,93,94)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,51-/m0/s1

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