(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carbamoyl-2-hydroxy-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-carboxy-ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]propanoic acid
Molecular Formula:
C50H74N10O15
InChI: InChI=1/C50H74N10O15/c1-8-27(6)41(50(75)58-36(24-61)42(52)67)60-47(72)33(21-30-17-13-10-14-18-30)54-46(71)35(23-38(65)66)56-44(69)32(20-29-15-11-9-12-16-29)53-45(70)34(22-37(63)64)55-43(68)31(19-25(2)3)57-49(74)40(26(4)5)59-48(73)39(51)28(7)62/h9-18,25-28,31-36,39-41,61-62H,8,19-24,51H2,1-7H3,(H2,52,67)(H,53,70)(H,54,71)(H,55,68)(H,56,69)(H,57,74)(H,58,75)(H,59,73)(H,60,72)(H,63,64)(H,65,66)/t27-,28+,31-,32-,33-,34-,35-,36-,39-,40-,41-/m0/s1/f/h53-60,63,65H,52H2
InChIKey: InChIKey=HLYKWBXUIYORLA-ANPOLKQFDA
SMILES: CCC(C)C(C(=O)NC(CO)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)N
Names:
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carbamoyl-2-hydroxy-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-carboxy-ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]propanoic acid
Registries:
PubChem CID 11320691
PubChem ID 16409971
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