(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular Formula:
C38H50N10O6S
InChI: InChI=1/C38H50N10O6S/c1-55-17-14-26(39)33(49)46-30(18-22-20-43-27-10-4-2-8-24(22)27)34(50)45-29(12-6-15-42-38(40)41)36(52)48-16-7-13-32(48)35(51)47-31(37(53)54)19-23-21-44-28-11-5-3-9-25(23)28/h2-5,8-11,20-21,26,29-32,43-44H,6-7,12-19,39H2,1H3,(H,45,50)(H,46,49)(H,47,51)(H,53,54)(H4,40,41,42)/t26-,29-,30-,31-,32-/m0/s1/f/h45-47,53H,40-41H2
InChIKey: InChIKey=NHHDBWIARGZIHA-LHFSPOHFDO
SMILES: CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCN=C(N)N)C(=O)N3CCCC3C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)N
Names:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
Registries:
PubChem CID 6914584
PubChem ID 11538308
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