[e9a]12p1

Structural Information

Molecular Formula

C₆₁H₉₈N₁₈O₁₆S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C61H98N18O16S2/c1-9-30(3)47(77-51(85)36(62)16-13-21-67-61(65)66)58(92)75-41(26-45(63)81)54(88)73-42(27-46(64)82)55(89)78-48(31(4)10-2)59(93)79-22-14-18-44(79)57(91)74-40(25-34-28-68-37-17-12-11-15-35(34)37)53(87)76-43(29-80)56(90)70-32(5)49(83)69-33(6)50(84)71-38(19-23-96-7)52(86)72-39(60(94)95)20-24-97-8/h11-12,15,17,28,30-33,36,38-44,47-48,68,80H,9-10,13-14,16,18-27,29,62H2,1-8H3,(H2,63,81)(H2,64,82)(H,69,83)(H,70,90)(H,71,84)(H,72,86)(H,73,88)(H,74,91)(H,75,92)(H,76,87)(H,77,85)(H,78,89)(H,94,95)(H4,65,66,67)/t30-,31-,32-,33-,36-,38-,39-,40-,41-,42-,43-,44-,47-,48-/m0/s1

InChIKey

HQABLCDHXTWMGD-YWJLGCOPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid

Related CIDs

• CID 516538