U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C68H101N15O21
Molecular Weight 1464.6174
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NO_NAME

SMILES

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(O)=O

InChI

InChIKey=PCRUUJKLLRBJEY-SEWGBTTKSA-N
InChI=1S/C68H101N15O21/c1-34(2)25-43(79-65(100)55(69)36(5)6)60(95)78-46(29-54(89)90)61(96)77-45(27-40-15-11-10-12-16-40)59(94)74-39(9)66(101)83-24-14-18-51(83)67(102)82-23-13-17-50(82)64(99)71-30-52(87)72-37(7)56(91)81-49(33-85)62(97)73-38(8)57(92)76-44(28-41-19-21-42(86)22-20-41)58(93)70-31-53(88)75-48(32-84)63(98)80-47(68(103)104)26-35(3)4/h10-12,15-16,19-22,34-39,43-51,55,84-86H,13-14,17-18,23-33,69H2,1-9H3,(H,70,93)(H,71,99)(H,72,87)(H,73,97)(H,74,94)(H,75,88)(H,76,92)(H,77,96)(H,78,95)(H,79,100)(H,80,98)(H,81,91)(H,89,90)(H,103,104)/t37-,38-,39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1

HIDE SMILES / InChI

Approval Year