(2S)-6-amino-N-[(1S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]pentyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanamide

Molecular Formula: C46H82N18O7S


InChI: InChI=1/C46H82N18O7S/c1-72-25-19-36(63-41(68)35(18-11-24-57-46(54)55)60-39(66)30(50)13-10-23-56-45(52)53)43(70)61-34(17-6-9-22-49)42(69)64-37(26-28-27-58-31-14-3-2-12-29(28)31)44(71)62-33(16-5-8-21-48)40(67)59-32(38(51)65)15-4-7-20-47/h2-3,12,14,27,30,32-37,58H,4-11,13,15-26,47-50H2,1H3,(H2,51,65)(H,59,67)(H,60,66)(H,61,70)(H,62,71)(H,63,68)(H,64,69)(H4,52,53,56)(H4,54,55,57)/t30-,32-,33-,34-,35-,36-,37-/m0/s1/f/h59-64H,51-55H2

InChIKey: InChIKey=OCDMLALPRKRBEE-IQYJRRSZDB
SMILES: CSCCC(C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

Names:
    (2S)-6-amino-N-[(1S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]pentyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanamide

Registries:
    PubChem CID 9898055
    PubChem ID 14865797