Current position:Home >Product >

[(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azaniumyl-1-[[(2S,3R)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-azaniumyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium

Systemtic Name:	[(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azaniumyl-1-[[(2S,3R)-1-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-azaniumyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium
Openeye Name:	[(4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-5-azaniumyl-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-[[(2S,3S)-2-[[(2S)-2-azaniumyl-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentyl]-(diaminomethylene)ammonium
CAS Name:	[(4S)-4-[[(2S,3S)-2-[[(2S)-2-ammonio-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-ammonio-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentyl]-(diaminomethylidene)ammonium
IUPAC Name:	[(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azaniumyl-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-2-azaniumyl-4-hydroxy-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium
Traditional Name:	[(4S)-5-[[(1S)-2-[[(1S)-1-[[(1S)-5-ammonio-1-[[(1S,2R)-1-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]amino]-4-[[(2S,3S)-2-[[(2S)-2-ammonio-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-pentyl]-(diaminomethylene)ammonium
Formula:	C₄₆H₈₈N₁₃O₁₃+3
MolecularWeight:	1031.27022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCC[NH3+])C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(=O)O)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)[NH3+]

InChI

InChI=1S/C46H85N13O13/c1-11-25(8)35(58-38(64)28(48)21-33(61)62)43(69)54-30(16-14-18-51-46(49)50)39(65)52-26(9)37(63)55-31(19-22(2)3)41(67)53-29(15-12-13-17-47)40(66)59-36(27(10)60)44(70)56-32(20-23(4)5)42(68)57-34(24(6)7)45(71)72/h22-32,34-36,60H,11-21,47-48H2,1-10H3,(H,52,65)(H,53,67)(H,54,69)(H,55,63)(H,56,70)(H,57,68)(H,58,64)(H,59,66)(H,61,62)(H,71,72)(H4,49,50,51)/p+3/t25-,26-,27+,28-,29-,30-,31-,32-,34-,35-,36-/m0/s1

Other Product