568565-11-7

Structural Information

Molecular Formula

C₆₃H₁₀₇N₂₃O₁₆S

SMILES

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C63H107N23O16S/c1-34(2)28-42(81-52(92)39(13-7-22-72-62(67)68)78-58(98)47-17-11-26-86(47)59(99)40(14-8-23-73-63(69)70)79-50(90)37(65)18-19-48(66)88)53(93)83-44(32-87)55(95)82-43(29-36-30-71-33-75-36)54(94)77-38(12-5-6-21-64)51(91)74-31-49(89)84-24-9-15-45(84)57(97)80-41(20-27-103-4)60(100)85-25-10-16-46(85)56(96)76-35(3)61(101)102/h30,33-35,37-47,87H,5-29,31-32,64-65H2,1-4H3,(H2,66,88)(H,71,75)(H,74,91)(H,76,96)(H,77,94)(H,78,98)(H,79,90)(H,80,97)(H,81,92)(H,82,95)(H,83,93)(H,101,102)(H4,67,68,72)(H4,69,70,73)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

PZJZONZEQDOQAZ-COFPHXSQSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid

Related CIDs

• CID 514191