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2-[2-[2-[[4-azanyl-2-[[2-[[2-[2-[[2-[2-[[5-azanyl-2-[[1-[2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name:	2-[2-[2-[[4-azanyl-2-[[2-[[2-[2-[[2-[2-[[5-azanyl-2-[[1-[2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanylidene-butanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-butanoic acid
Openeye Name:	2-[[2-[[2-[[4-amino-2-[[2-[[2-[2-[[2-[[2-[[5-amino-2-[[1-[2-[[4-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]-4-oxo-butanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-butanoic acid
CAS Name:	2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[[1-[2-[[4-amino-2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1,4-dioxobutyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxybutanoic acid
IUPAC Name:	2-[[2-[[2-[[4-amino-2-[[2-[[2-[2-[[2-[[2-[[5-amino-2-[[1-[2-[[4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid
Traditional Name:	2-[[2-[[2-[[4-amino-2-[[2-[[2-[2-[[2-[[2-[[5-amino-2-[[1-[2-[[4-amino-2-[(2-amino-3-hydroxy-propanoyl)amino]-4-keto-butanoyl]amino]acetyl]prolyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-butyric acid
Formula:	C₅₃H₈₁N₁₇O₂₂S
MolecularWeight:	1340.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CNC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CO)N)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CNC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CO)N)O

InChI

InChI=1S/C53H81N17O22S/c1-24(44(82)68-34(23-72)51(89)64-30(12-14-93-3)49(87)67-33(17-38(57)77)47(85)59-18-39(78)58-19-41(80)69-43(25(2)73)53(91)92)62-50(88)31(15-26-6-8-27(74)9-7-26)63-40(79)20-60-46(84)29(10-11-36(55)75)65-52(90)35-5-4-13-70(35)42(81)21-61-48(86)32(16-37(56)76)66-45(83)28(54)22-71/h6-9,24-25,28-35,43,71-74H,4-5,10-23,54H2,1-3H3,(H2,55,75)(H2,56,76)(H2,57,77)(H,58,78)(H,59,85)(H,60,84)(H,61,86)(H,62,88)(H,63,79)(H,64,89)(H,65,90)(H,66,83)(H,67,87)(H,68,82)(H,69,80)(H,91,92)

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