(4S)-4-amino-4-[[(1S)-2-carboxy-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(2S)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]ethyl]carbamoyl]butanoic acid
Molecular Formula:
C53H74N14O17
InChI: InChI=1/C53H74N14O17/c1-27(2)19-35(47(79)62-34(9-5-17-57-53(55)56)52(84)67-18-6-10-40(67)51(83)60-25-44(75)76)61-41(70)24-59-46(78)36(20-28-11-13-30(69)14-12-28)64-50(82)39(26-68)66-48(80)37(21-29-23-58-33-8-4-3-7-31(29)33)65-49(81)38(22-43(73)74)63-45(77)32(54)15-16-42(71)72/h3-4,7-8,11-14,23,27,32,34-40,58,68-69H,5-6,9-10,15-22,24-26,54H2,1-2H3,(H,59,78)(H,60,83)(H,61,70)(H,62,79)(H,63,77)(H,64,82)(H,65,81)(H,66,80)(H,71,72)(H,73,74)(H,75,76)(H4,55,56,57)/t32-,34-,35-,36-,37-,38-,39-,40-/m0/s1/f/h59-66,71,73,75H,55-56H2
InChIKey: InChIKey=HNVBMABFAFFQGE-OQVSZVEBDO
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N
Names:
(4S)-4-amino-4-[[(1S)-2-carboxy-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(2S)-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]ethyl]carbamoyl]butanoic acid
Registries:
PubChem CID 10396498
PubChem ID 15412132
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|