(3S)-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-[[(1S)-2-carbamoyl-1-[[(1S,2S)-2-methyl-1-[[(1S)-3-methyl-1-[[(2S)-1-oxopropan-2-yl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]ethyl]carbamoyl]propanoic acid
Molecular Formula:
C46H74N10O13S
InChI: InChI=1/C46H74N10O13S/c1-9-25(5)37(45(68)52-30(18-24(3)4)40(63)49-27(7)22-57)55-43(66)32(20-35(48)59)51-42(65)33(21-36(60)61)53-46(69)38(26(6)10-2)56-44(67)34(23-58)54-41(64)31(19-28-14-12-11-13-15-28)50-39(62)29(47)16-17-70-8/h11-15,22,24-27,29-34,37-38,58H,9-10,16-21,23,47H2,1-8H3,(H2,48,59)(H,49,63)(H,50,62)(H,51,65)(H,52,68)(H,53,69)(H,54,64)(H,55,66)(H,56,67)(H,60,61)/t25-,26-,27-,29-,30-,31-,32-,33-,34-,37-,38-/m0/s1/f/h49-56,60H,48H2
InChIKey: InChIKey=KVPXHLDQILIDIT-ZLMPTWNJDX
SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C)C=O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)N
Names:
(3S)-3-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-[[(1S)-2-carbamoyl-1-[[(1S,2S)-2-methyl-1-[[(1S)-3-methyl-1-[[(2S)-1-oxopropan-2-yl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]ethyl]carbamoyl]propanoic acid
Registries:
PubChem CID 6914583
PubChem ID 11538307
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