Nh2-lcycrrfrcvcv-nh2

Structural Information

Molecular Formula

C₆₄H₁₀₂N₂₂O₁₃S₄

SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCN=C(N)N)CC3=CC=CC=C3)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@@H](NC1=O)CC4=CC=C(C=C4)O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)N

InChI

InChI=1S/C64H102N22O13S4/c1-32(2)25-38(65)51(89)81-44-28-100-103-31-47(59(97)85-48(33(3)4)50(66)88)84-61(99)49(34(5)6)86-60(98)46-30-102-101-29-45(83-56(94)43(80-58(44)96)27-36-18-20-37(87)21-19-36)57(95)78-39(15-10-22-73-62(67)68)52(90)76-40(16-11-23-74-63(69)70)53(91)79-42(26-35-13-8-7-9-14-35)55(93)77-41(54(92)82-46)17-12-24-75-64(71)72/h7-9,13-14,18-21,32-34,38-49,87H,10-12,15-17,22-31,65H2,1-6H3,(H2,66,88)(H,76,90)(H,77,93)(H,78,95)(H,79,91)(H,80,96)(H,81,89)(H,82,92)(H,83,94)(H,84,99)(H,85,97)(H,86,98)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1

InChIKey

DIQQQGKSFJGDQP-XNHKUAGSSA-N

Compound name

(1R,4S,7R,12R,15S,18R,21S,24S,27S,30S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-7-[[(2S)-2-amino-4-methylpentanoyl]amino]-24-benzyl-21,27,30-tris[3-(diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-3,6,14,17,20,23,26,29,32-nonaoxo-15-propan-2-yl-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-carboxamide

Related CIDs

• CID 25078091