(4S)-4-amino-5-[(2S)-2-[[(1S)-2-carbamoyl-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-carboxy-1-[[(1S,2R)-1-[[(1S)-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]ethyl]carbamoyl]-4-(diaminomethylideneamino)butyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid
Molecular Formula:
C41H67N15O19
InChI: InChI=1/C41H67N15O19/c1-17(32(67)48-15-30(65)66)50-39(74)31(19(3)58)55-36(71)23(13-29(63)64)52-37(72)24(16-57)54-33(68)18(2)49-35(70)21(6-4-10-46-41(44)45)51-27(60)14-47-34(69)22(12-26(43)59)53-38(73)25-7-5-11-56(25)40(75)20(42)8-9-28(61)62/h17-25,31,57-58H,4-16,42H2,1-3H3,(H2,43,59)(H,47,69)(H,48,67)(H,49,70)(H,50,74)(H,51,60)(H,52,72)(H,53,73)(H,54,68)(H,55,71)(H,61,62)(H,63,64)(H,65,66)(H4,44,45,46)/t17-,18-,19+,20-,21-,22-,23-,24-,25-,31-/m0/s1/f/h47-55,61,63,65H,43-45H2
InChIKey: InChIKey=QXRPIOGZYVYDSS-MYHXGTMQDD
SMILES: CC(C(C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)N)O
Names:
(4S)-4-amino-5-[(2S)-2-[[(1S)-2-carbamoyl-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-carboxy-1-[[(1S,2R)-1-[[(1S)-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]ethyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]ethyl]carbamoyl]-4-(diaminomethylideneamino)butyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid
Registries:
PubChem CID 10213724
PubChem ID 15211729
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