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(4S)-4-azanyl-5-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxid

Systemtic Name:	(4S)-4-azanyl-5-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxid
Openeye Name:	(4S)-4-amino-5-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-4-amino-5-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pentyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]pentyl]amino]-5-keto-valeric acid
Formula:	C₅₃H₉₃N₁₇O₁₅S
MolecularWeight:	1240.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C53H93N17O15S/c1-28(2)24-38(51(83)69-39(25-31-26-59-27-61-31)50(82)62-30(5)43(75)70-42(29(3)4)52(84)85)68-47(79)35(14-11-22-60-53(57)58)65-46(78)34(13-8-10-21-55)64-48(80)36(16-18-41(73)74)66-49(81)37(19-23-86-6)67-45(77)33(12-7-9-20-54)63-44(76)32(56)15-17-40(71)72/h26-30,32-39,42H,7-25,54-56H2,1-6H3,(H,59,61)(H,62,82)(H,63,76)(H,64,80)(H,65,78)(H,66,81)(H,67,77)(H,68,79)(H,69,83)(H,70,75)(H,71,72)(H,73,74)(H,84,85)(H4,57,58,60)/t30-,32-,33-,34-,35-,36-,37-,38-,39-,42-/m0/s1

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