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(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Openeye Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CAS Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Traditional Name:	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid
Formula:	C₅₉H₈₃N₁₁O₁₃S₂
MolecularWeight:	1218.48622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CS)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C59H83N11O13S2/c1-10-32(6)49(70-52(75)41(60)25-35-15-19-38(71)20-16-35)58(81)67-46(29-84)55(78)65-44(27-37-28-61-42-14-12-11-13-40(37)42)54(77)68-48(31(4)5)57(80)69-47(30(2)3)56(79)63-34(8)50(73)64-43(23-24-85-9)53(76)62-33(7)51(74)66-45(59(82)83)26-36-17-21-39(72)22-18-36/h11-22,28,30-34,41,43-49,61,71-72,84H,10,23-27,29,60H2,1-9H3,(H,62,76)(H,63,79)(H,64,73)(H,65,78)(H,66,74)(H,67,81)(H,68,77)(H,69,80)(H,70,75)(H,82,83)/t32-,33-,34-,41-,43-,44-,45-,46-,47-,48-,49-/m0/s1

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