(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoic acid
Molecular Formula:
C46H66N10O14
InChI: InChI=1/C46H66N10O14/c1-6-23(3)36(49)44(67)54-30(20-33(47)58)41(64)50-29(19-27-16-12-9-13-17-27)40(63)53-32(22-35(60)61)42(65)51-28(18-26-14-10-8-11-15-26)39(62)52-31(21-34(48)59)43(66)56-38(25(5)57)45(68)55-37(46(69)70)24(4)7-2/h8-17,23-25,28-32,36-38,57H,6-7,18-22,49H2,1-5H3,(H2,47,58)(H2,48,59)(H,50,64)(H,51,65)(H,52,62)(H,53,63)(H,54,67)(H,55,68)(H,56,66)(H,60,61)(H,69,70)/t23-,24-,25+,28-,29-,30-,31-,32-,36-,37-,38-/m0/s1/f/h50-56,60,69H,47-48H2
InChIKey: InChIKey=ABTNVIGMSVCNMY-KRBLGACLDI
SMILES: CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)O)N
Names:
(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-carbamoyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoic acid
Registries:
PubChem CID 445672
PubChem ID 11538430
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