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(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name:	(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid
Openeye Name:	(4S)-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]amino]-4-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-5-[[(1S)-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]amino]-4-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-5-keto-valeric acid
Formula:	C₄₆H₈₂N₁₄O₁₄
MolecularWeight:	1055.22868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C)N

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)N

InChI

InChI=1S/C46H82N14O14/c1-11-22(6)34(43(72)53-26(10)37(48)66)60-45(74)36(24(8)13-3)59-41(70)29(19-32(64)65)56-42(71)33(21(4)5)57-44(73)35(23(7)12-2)58-40(69)27(15-14-18-51-46(49)50)55-39(68)28(16-17-31(62)63)54-30(61)20-52-38(67)25(9)47/h21-29,33-36H,11-20,47H2,1-10H3,(H2,48,66)(H,52,67)(H,53,72)(H,54,61)(H,55,68)(H,56,71)(H,57,73)(H,58,69)(H,59,70)(H,60,74)(H,62,63)(H,64,65)(H4,49,50,51)/t22-,23+,24-,25-,26-,27-,28-,29-,33-,34-,35-,36-/m0/s1

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