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(3S)-3-azanyl-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name:	(3S)-3-azanyl-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid
Openeye Name:	(3S)-3-amino-4-[[(1S)-1-[[(1S)-5-amino-1-[[2-[[2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-4-oxo-butanoic acid
CAS Name:	(3S)-3-amino-4-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[2-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name:	(3S)-3-amino-4-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[2-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-4-hydroxy-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Traditional Name:	(3S)-3-amino-4-[[(1S)-1-[[(1S)-5-amino-1-[[2-[[2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-3-hydroxy-1-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-4-keto-butyric acid
Formula:	C₄₅H₆₅N₁₃O₁₆
MolecularWeight:	1044.0751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C45H65N13O16/c46-15-5-4-9-28(55-40(69)29(10-6-16-50-45(48)49)54-38(67)27(47)19-36(63)64)39(68)52-21-34(61)51-22-35(62)53-33(23-59)43(72)56-30(17-24-7-2-1-3-8-24)41(70)57-31(20-37(65)66)42(71)58-32(44(73)74)18-25-11-13-26(60)14-12-25/h1-3,7-8,11-14,27-33,59-60H,4-6,9-10,15-23,46-47H2,(H,51,61)(H,52,68)(H,53,62)(H,54,67)(H,55,69)(H,56,72)(H,57,70)(H,58,71)(H,63,64)(H,65,66)(H,73,74)(H4,48,49,50)/t27-,28-,29-,30-,31-,32-,33-/m0/s1

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