Tat 36-50 (41/47)

Structural Information

Molecular Formula

C₆₅H₁₁₁N₁₉O₁₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)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](CC1=CC=CC=C1)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C65H111N19O19S/c1-12-33(6)49(61(99)80-44(29-85)58(96)74-34(7)52(90)71-27-46(88)76-40(22-18-24-70-65(68)69)56(94)77-41(64(102)103)21-16-17-23-66)82-47(89)28-72-55(93)42(25-31(2)3)78-54(92)36(9)73-53(91)35(8)75-62(100)50(37(10)86)84-63(101)51(38(11)87)83-57(95)43(26-39-19-14-13-15-20-39)79-59(97)45(30-104)81-60(98)48(67)32(4)5/h13-15,19-20,31-38,40-45,48-51,85-87,104H,12,16-18,21-30,66-67H2,1-11H3,(H,71,90)(H,72,93)(H,73,91)(H,74,96)(H,75,100)(H,76,88)(H,77,94)(H,78,92)(H,79,97)(H,80,99)(H,81,98)(H,82,89)(H,83,95)(H,84,101)(H,102,103)(H4,68,69,70)/t33-,34-,35-,36-,37+,38+,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-/m0/s1

InChIKey

QWANLLGYGKBWCD-LFBPIRCSSA-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]propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Related CIDs

• CID 5481022