(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid

Molecular Formula: C38H71N13O11S3


InChI: InChI=1/C38H71N13O11S3/c1-6-19(2)28(36(60)50-27(18-64)37(61)62)51-30(54)21(4)45-32(56)24(11-9-14-43-38(41)42)46-34(58)25(12-15-65-5)48-33(57)23(10-7-8-13-39)47-35(59)26(16-52)49-29(53)20(3)44-31(55)22(40)17-63/h19-28,52,63-64H,6-18,39-40H2,1-5H3,(H,44,55)(H,45,56)(H,46,58)(H,47,59)(H,48,57)(H,49,53)(H,50,60)(H,51,54)(H,61,62)(H4,41,42,43)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-/m0/s1/f/h44-51,61H,41-42H2

InChIKey: InChIKey=NKJIDGIQBDPRSL-YAQMMOISDU
SMILES: CCC(C)C(C(=O)NC(CS)C(=O)O)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CS)N

Names:
    (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid

Registries:
    PubChem CID 11320620
    PubChem ID 16409901