Tat 36-50 (41)

Structural Information

Molecular Formula

C₇₁H₁₁₅N₁₉O₂₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C71H115N19O20S/c1-11-37(6)55(67(106)86-50(33-91)64(103)84-48(30-43-22-24-44(94)25-23-43)61(100)77-31-52(95)81-45(21-17-27-76-71(74)75)62(101)82-46(70(109)110)20-15-16-26-72)88-53(96)32-78-60(99)47(28-35(2)3)83-59(98)39(8)79-58(97)38(7)80-68(107)56(40(9)92)90-69(108)57(41(10)93)89-63(102)49(29-42-18-13-12-14-19-42)85-65(104)51(34-111)87-66(105)54(73)36(4)5/h12-14,18-19,22-25,35-41,45-51,54-57,91-94,111H,11,15-17,20-21,26-34,72-73H2,1-10H3,(H,77,100)(H,78,99)(H,79,97)(H,80,107)(H,81,95)(H,82,101)(H,83,98)(H,84,103)(H,85,104)(H,86,106)(H,87,105)(H,88,96)(H,89,102)(H,90,108)(H,109,110)(H4,74,75,76)/t37-,38-,39-,40+,41+,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-,57-/m0/s1

InChIKey

IYVZBDPONWMOSO-JXOMCSHYSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Related CIDs

• CID 25081085