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(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic

Systemtic Name:	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic
Openeye Name:	(4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-(methylthio)butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-valeric acid
Formula:	C₆₁H₉₂N₁₄O₁₆S
MolecularWeight:	1309.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CCSC)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)N

InChI

InChI=1S/C61H92N14O16S/c1-32(2)27-44(57(86)68-40(19-13-14-25-62)54(83)69-41(20-22-48(64)77)53(82)66-35(6)52(81)73-46(61(90)91)29-37-30-65-39-18-12-11-17-38(37)39)71-58(87)45(28-36-15-9-8-10-16-36)72-55(84)42(21-23-49(78)79)70-59(88)47(31-76)74-60(89)50(33(3)4)75-56(85)43(24-26-92-7)67-51(80)34(5)63/h8-12,15-18,30,32-35,40-47,50,65,76H,13-14,19-29,31,62-63H2,1-7H3,(H2,64,77)(H,66,82)(H,67,80)(H,68,86)(H,69,83)(H,70,88)(H,71,87)(H,72,84)(H,73,81)(H,74,89)(H,75,85)(H,78,79)(H,90,91)/t34-,35-,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1

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