Rinnipwseamm

Structural Information

Molecular Formula

C₆₃H₁₀₀N₁₈O₁₈S₂

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](CCC(=O)O)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/C63H100N18O18S2/c1-8-31(3)49(79-52(88)36(64)15-12-22-69-63(67)68)60(96)77-42(27-46(65)83)56(92)75-43(28-47(66)84)57(93)80-50(32(4)9-2)61(97)81-23-13-17-45(81)59(95)76-41(26-34-29-70-37-16-11-10-14-35(34)37)55(91)78-44(30-82)58(94)73-38(18-19-48(85)86)53(89)71-33(5)51(87)72-39(20-24-100-6)54(90)74-40(62(98)99)21-25-101-7/h10-11,14,16,29,31-33,36,38-45,49-50,70,82H,8-9,12-13,15,17-28,30,64H2,1-7H3,(H2,65,83)(H2,66,84)(H,71,89)(H,72,87)(H,73,94)(H,74,90)(H,75,92)(H,76,95)(H,77,96)(H,78,91)(H,79,88)(H,80,93)(H,85,86)(H,98,99)(H4,67,68,69)/t31-,32-,33-,36-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1

InChIKey

VCLBYPJPLHSYAZ-PZDKMECOSA-N

Compound name

(4S)-4-[[(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]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 516475